(13E)-13-ethylidene-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-trien-18-ol
Basic information
- CAS
509-38-6- Standard SMILES
C/C=C1/CN2C3CC45c6ccccc6N(C)C4C2CC1C3C5O- InChIKey
VBEQZFNVRMPLSM-JYOAFUTRSA-N- Molecular formula
- C20H24N2O
- Average molar mass
- 308.4 g/mol
- Monoisotopic mass
- 308.18886339
Names & identifiers
- Preferred name
- (13E)-13-ethylidene-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-trien-18-ol
- IUPAC
- (13E)-13-ethylidene-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-trien-18-ol
Names & synonyms
(13E)-13-ethylidene-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-trien-18-olNSC-72114(1R,9R,10S,12R,13E,16S,17S,18R)-13-Ethylidene-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-trien-18-olAjmalan-17-ol,20-didehydro-, (17R,19E)-
Database identifiers
- CAS
509-38-6- PubChem CID
- 5474451
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 26.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 588
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Compound notes
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